ethyl 1-[4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[[4-(diethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-(diethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)N(CC)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)N(CC)CC

InChI

InChI=1S/C26H36N4O3S/c1-5-22-17-23(29(6-2)7-3)28-26(27-22)34-18-19-9-11-20(12-10-19)24(31)30-15-13-21(14-16-30)25(32)33-8-4/h9-12,17,21H,5-8,13-16,18H2,1-4H3